Information card for entry 4327030

Structure parameters

• Formula: C24 H30 Cl2 Fe2 N6 O10
• Calculated formula: C24 H26 Cl2 Fe2 N6 O10
• SMILES: c1(cccc2c1O[Fe]134([N](=C2)N=C2C(C)=[N](O)[Fe]56([O]12)([N](=Cc1cccc(c1O5)OC)N=C(C(=[N]3O)C)[O]46)(OC)Cl)(OC)Cl)OC
• Title of publication: Polynuclear Fen Complexes (n= 1, 2, 4, 5) of Polytopic Hydrazone Ligands with Fe(II), Fe(III) and Mixed Oxidation State Combinations
• Authors of publication: Muhammad U. Anwar; Konstantin V. Shuvaev; Louise N. Dawe; Laurence K. Thompson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 12141 - 12154
• a: 7.58 ± 0.02 Å
• b: 8.79 ± 0.03 Å
• c: 11.16 ± 0.04 Å
• α: 102.98 ± 0.06°
• β: 100.03 ± 0.04°
• γ: 92.09 ± 0.07°
• Cell volume: 711 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1503
• Residual factor for significantly intense reflections: 0.1415
• Weighted residual factors for significantly intense reflections: 0.3356
• Weighted residual factors for all reflections included in the refinement: 0.3495
• Goodness-of-fit parameter for all reflections included in the refinement: 2.026
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No